(4R,5S,6S)-6-Acetyl-5-isopropenyl-2,4,6-trimethyl-2-cyclohexen-1-one
[CAS# 812649-78-8]

Identification

• Name: (4R,5S,6S)-6-Acetyl-5-isopropenyl-2,4,6-trimethyl-2-cyclohexen-1-one
• Synonyms: (4R,5S,6S)-6-acetyl-2,4,6-trimethyl-5-(prop-1-en-2-yl)cyclohex-2-enone
• Molecular Formula: C₁₄H₂₀O₂
• Molecular Weight: 220.31
• CAS Registry Number: 812649-78-8
• SMILES: C[C@@H]1C=C(C(=O)[C@]([C@@H]1C(=C)C)(C)C(=O)C)C
• InChI: 1S/C14H20O2/c1-8(2)12-9(3)7-10(4)13(16)14(12,6)11(5)15/h7,9,12H,1H2,2-6H3/t9-,12-,14-/m1/s1
• InChIKey: PQDQDANLXYCTAM-GAJTVXKRSA-N

Properties

• Density: 0.96g/cm³ (Cal.)
• Boiling point: 316.342°C at 760 mmHg (Cal.)
• Flash point: 118.424°C (Cal.)
• Refractive index: 1.47 (Cal.)